trjcat segfaults when converting xtc/trr -> tng
(Version : 5.0.2)
converting xtc or trr file(s) to tng format usign trjcat results
in "Segmentation fault (core dumped).
Converting tng file(s) to xtc with trjcat works.
Concatenating tng file(s) to one single tng works.
Other gmx modules, including trjconv, seem to work well with tng.
I suspect the reason for that is the "molecule block" at the beginning of the tng (DOI: 10.1002/jcc.23495),
which trjcat tries to fill up. This is impossible for "trjcat -f xtc -o tng", since trjcat does not accept
tpr files as input such that trjcat cannot know the details about molecules/atoms.
In contrast, trjconv behaves well:
"trjconv -f t1.xtc -o t2.xtc" runs without topol.tpr
but "trjconv -f t1.xtc -o t2.tng" will ask for an additional "-s topol.tpr input" in order to get the information for the "molecule block" of the tng file.
IMHO, trjcat does not necessarily need to capability for xtc->tng conversion, therefore it might be sufficient
to change the documentation and prevent the combination of xtc input and tng output for trjcat ?